element(s):
['Al', 'Pd']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2214', '1.2274127', '0.64555337', '0.15947185']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35444663]
 [0.33333333 0.66666667 0.84052815]]
spacegroup =  164
cell =  [[4.2214, 0, 0], [-2.1107, 3.6558396395356, 0], [0, 0, 5.1814]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:38:45      -15.847714         1.624042
BFGS:    1 16:38:45      -15.945077         1.474820
BFGS:    2 16:38:45      -16.124955         1.165450
BFGS:    3 16:38:45      -16.265054         0.862031
BFGS:    4 16:38:45      -16.367103         0.578733
BFGS:    5 16:38:45      -16.436022         0.355748
BFGS:    6 16:38:45      -16.474793         0.159145
BFGS:    7 16:38:45      -16.483743         0.113877
BFGS:    8 16:38:45      -16.484148         0.102300
BFGS:    9 16:38:45      -16.485524         0.047053
BFGS:   10 16:38:45      -16.486151         0.060744
BFGS:   11 16:38:45      -16.486542         0.070746
BFGS:   12 16:38:45      -16.486801         0.067322
BFGS:   13 16:38:45      -16.487244         0.048766
BFGS:   14 16:38:45      -16.487631         0.021394
BFGS:   15 16:38:45      -16.487821         0.013280
BFGS:   16 16:38:45      -16.487856         0.004591
BFGS:   17 16:38:45      -16.487858         0.003980
BFGS:   18 16:38:45      -16.487859         0.004222
BFGS:   19 16:38:45      -16.487861         0.004518
BFGS:   20 16:38:45      -16.487864         0.004131
BFGS:   21 16:38:45      -16.487868         0.002536
BFGS:   22 16:38:45      -16.487870         0.001135
BFGS:   23 16:38:45      -16.487870         0.000242
BFGS:   24 16:38:45      -16.487870         0.000018
BFGS:   25 16:38:45      -16.487870         0.000002
BFGS:   26 16:38:45      -16.487870         0.000000
BFGS:   27 16:38:45      -16.487870         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.900294729299118e-09 eV/Angstrom
Maximum stress component: 2.3106368974312904e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36715048]
 [0.66666667 0.33333333 0.63284952]
 [0.33333333 0.66666667 0.86473915]
 [0.66666667 0.33333333 0.13526085]]
cellpar =  Cell([[4.453971798271862, 6.006149991908063e-18, -1.0864459370933418e-37], [-2.226985899135931, 3.857252725042893, -1.9272167784554285e-36], [1.3374885014298084e-36, 5.725351567766436e-36, 5.485666090749837]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.63320645e-46 -1.98332440e-45 -1.90029473e-09]
 [-4.57495342e-33  1.98331823e-45  1.90029473e-09]
 [ 3.65996273e-32  6.33924141e-32 -5.45302850e-10]
 [ 1.09798882e-31 -6.33924141e-32  5.45302850e-10]]
stress =  [-2.31063690e-11 -2.31063690e-11 -5.19006725e-12 -3.88348594e-34
 -6.72639496e-34  7.45427713e-27]
energy per atom =  -3.297574083586787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0